2-[[4-chloranyl-2-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[[4-chloranyl-2-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[[4-chloro-2-(dimethylamino)phenyl]methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[[4-chloro-2-(dimethylamino)phenyl]methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[[4-chloro-2-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[[4-chloro-2-(dimethylamino)benzyl]thio]-N-(4-pyridyl)nicotinamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)Cl)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)Cl)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C20H19ClN4OS/c1-25(2)18-12-15(21)6-5-14(18)13-27-20-17(4-3-9-23-20)19(26)24-16-7-10-22-11-8-16/h3-12H,13H2,1-2H3,(H,22,24,26)